Vitas-M small molecule compound
N~2~-{(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}-L-alaninamide
Catalog ID
STL546315
SMILES C[C@@H](C(=O)N)N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H22N2O7 MW 414.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O7/c1-7-16(26)14(10(4)24)18-15(17(7)27)21(5)12(30-18)6-11(25)13(19(21)28)8(2)23-9(3)20(22)29/h6,9,23,26-27H,1-5H3,(H2,22,29)/b13-8+/t9-,21-/m0/s1InChIKey
RQQZUURROCFJTM-MGAQWCLASA-NSynonyms
(2~(S))2(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)propanamide
(S)2(((E)1((R)6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)propanamide
121541851
C(C@@H)(C(=O)N)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC21H22N2O7c1716(26)14(10(4)24)1815(17(7)27)21(5)12(3018)611(25)13(19(21)28)8(2)239(3)20(22)29h69232627H15H3(H22229)b138+t921m0s1
N~2~((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)Lalaninamide
N2((1E)1((9BR)6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO39BDIHYDRODIBENZO(BD)FURAN2(1H)YLIDENE)ETHYL)LALANINAMIDE
ZINC000263586245
ZINC263586245
Check stock
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